2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol

C16H27NO — CID 115250899

IUPAC2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO/c1-6-15(11-18)9-17(5)10-16-13(3)7-12(2)8-14(16)4/h7-8,15,18H,6,9-11H2,1-5H3
InChIKeyFVVZNZYSCIKWTL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.06
Rot. Bonds6

About 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol

2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol (PubChem CID 115250899) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol
PubChem CID115250899
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol
SMILESCCC(CO)CN(C)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO/c1-6-15(11-18)9-17(5)10-16-13(3)7-12(2)8-14(16)4/h7-8,15,18H,6,9-11H2,1-5H3
InChIKeyFVVZNZYSCIKWTL-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[Ethyl-(3-methyl-benzyl)-amino]-ethanol
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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol (CID 115250899) is 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol is CCC(CO)CN(C)Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol?
The InChIKey is FVVZNZYSCIKWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-15(11-18)9-17(5)10-16-13(3)7-12(2)8-14(16)4/h7-8,15,18H,6,9-11H2,1-5H3.
What are the key properties of 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol?
2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2,4,6-trimethylphenyl)methyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 115250899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).